SCHEMBL5991064

SCHEMBL5991064

CC[C@@H](CCOc1ccc(CCC(=O)OC)c(C)c1)OS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.47
PPARD Q03181 19/20 0.47
PPARA Q07869 15/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5990210 1.00 PPARG (0.47) PPARGPPARDPPARA
SCHEMBL5990406 1.00 PPARG (0.47) PPARGPPARDPPARA
SCHEMBL5989885 0.87 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL5989694 0.87 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL5991703 0.87 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL5989420 0.84 PPARG (0.42) PPARGPPARDPPARA
SCHEMBL5989025 0.82 PPARG (0.44) PPARGPPARDPPARA
SCHEMBL5989566 0.82 PPARG (0.44) PPARGPPARDPPARA
SCHEMBL5989029 0.82 PPARG (0.44) PPARGPPARDPPARA
SCHEMBL5989482 0.80 DYRK1A (0.41) PPARGPPARDPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed